2-azanyl-4-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid

Systemtic Name: 2-azanyl-4-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-oxidanylidene-2-propan-2-yl-hexanedioic acid Openeye Name: 2-amino-4-[4-(4-carbamimidoylphenoxy)butanoylamino]-2-isopropyl-3-oxo-hexanedioic acid CAS Name: 2-amino-4-[[4-(4-carbamimidoylphenoxy)-1-oxobutyl]amino]-3-oxo-2-propan-2-ylhexanedioic acid IUPAC Name: 2-amino-4-[4-(4-carbamimidoylphenoxy)butanoylamino]-3-oxo-2-propan-2-ylhexanedioic acid Traditional Name: 4-[4-(4-amidinophenoxy)butanoylamino]-2-amino-2-isopropyl-3-keto-adipic acid Formula: C20H28N4O7 MolecularWeight: 436.45892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C(CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N)(C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)C(CC(=O)O)NC(=O)CCCOC1=CC=C(C=C1)C(=N)N)(C(=O)O)N

InChI

InChI=1S/C20H28N4O7/c1-11(2)20(23,19(29)30)17(28)14(10-16(26)27)24-15(25)4-3-9-31-13-7-5-12(6-8-13)18(21)22/h5-8,11,14H,3-4,9-10,23H2,1-2H3,(H3,21,22)(H,24,25)(H,26,27)(H,29,30)